Geology topics

M. Rostam-Abadi

Publications and source records attributed to M. Rostam-Abadi.

At least 19 recordsLinked to original sources

USGS2011

Activity and stability of immobilized carbonic anhydrase for promoting CO2 absorption into a carbonate solution for post-combustion CO2 capture

An Integrated Vacuum Carbonate Absorption Process (IVCAP) currently under development could significantly reduce the energy consumed when capturing CO 2 from the flue gases of coal-fired power plants. The biocatalyst carbonic anhydrase (CA) has been found to effectively promote the absorption of CO 2 into the potassium carbonate solution that would be used in the IVCAP. Two CA enzymes were immobilized onto three selected support materials having different pore structures. The thermal stability of the immobilized CA enzymes was significantly greater than their free counterparts. For example, the immobilized enzymes retained at least 60% of their initial activities after 90 days at 50 °C compared to about 30% for their free counterparts under the same conditions. The immobilized CA also had significantly improved resistance to concentrations of sulfate (0.4 M), nitrate (0.05 M) and chloride (0.3 M) typically found in flue gas scrubbing liquids than their free counterparts.

Bioresource Technology↗

USGS2008

A generic analysis of energy use and solvent selection for CO2 separation from post-combustion flue gases

A thermodynamic calculation was performed to determine the theoretical minimum energy used to separate CO2 from a coal combustion flue gas in a typical adsorption-desorption system. Under ideal conditions, the minimum energy required to separate CO2 from post-combustion flue gas and produce pure CO2 at 1 atmospheric pressure was only about 1183 kJ/kg CO2. This amount could double with the addition of the driving forces of mass and heat transfer and the adverse impacts of absorption heat release on adsorption capacity. Thermodynamic analyses were also performed for the aqueous amine-based absorption process. Two CO2 reaction mechanisms, the carbamate formation reaction with primary/secondary amines and the CO2 hydration reaction with tertiary amines, were included in the absorption reaction. The reaction heat, sensible heat, and stripping heat were all important to the total heat requirement. The heat use of an ideal tertiary amine amounted to 2786 kJ/kg, compared to 3211 kJ/kg for an ideal primary amine. The heat usage of an ideal amine was about 20% lower than that of commercially available amines. Optimizing the absorption process configuration could further reduce energy use. This is an abstract of a paper presented at the 2008 AIChE Spring National Meeting (New Orleans, LA 4/6-10/2008).

Conference Paper↗

USGS2007

Characteristics of fly ashes from full-scale coal-fired power plants and their relationship to mercury adsorption

Nine fly ash samples were collected from the particulate collection devices (baghouse or electrostatic precipitator) of four full-scale pulverized coal (PC) utility boilers burning eastern bituminous coals (EB-PC ashes) and three cyclone utility boilers burning either Powder River Basin (PRB) coals or PRB blends,(PRB-CYC ashes). As-received fly ash samples were mechanically sieved to obtain six size fractions. Unburned carbon (UBC) content, mercury content, and Brunauer-Emmett-Teller (BET)-N2 surface areas of as-received fly ashes and their size fractions were measured. In addition, UBC particles were examined by scanning electron microscopy, high-resolution transmission microscopy, and thermogravimetry to obtain information on their surface morphology, structure, and oxidation reactivity. It was found that the UBC particles contained amorphous carbon, ribbon-shaped graphitic carbon, and highly ordered graphite structures. The mercury contents of the UBCs (Hg/UBC, in ppm) in raw ash samples were comparable to those of the UBC-enriched samples, indicating that mercury was mainly adsorbed on the UBC in fly ash. The UBC content decreased with a decreasing particle size range for all nine ashes. There was no correlation between the mercury and UBC contents of different size fractions of as-received ashes. The mercury content of the UBCs in each size fraction, however, generally increased with a decreasing particle size for the nine ashes. The mercury contents and surface areas of the UBCs in the PRB-CYC ashes were about 8 and 3 times higher than UBCs in the EB-PC ashes, respectively. It appeared that both the particle size and surface area of UBC could contribute to mercury capture. The particle size of the UBC in PRB-CYC ash and thus the external mass transfer was found to be the major factor impacting the mercury adsorption. Both the particle size and surface reactivity of the UBC in EB-PC ash, which generally had a lower carbon oxidation reactivity than the PRB-PC ashes, appeared to be important for the mercury adsorption. ?? 2007 American Chemical Society.

Energy and Fuels↗

USGS2006

Adsorption site analysis of impurity embedded single-walled carbon nanotube bundles

Bundle morphology and adsorptive contributions from nanotubes and impurities are studied both experimentally and by simulation using a computer-aided methodology, which employs a small physisorbed probe molecule to explore the porosity of nanotube samples. Grand canonical Monte Carlo simulation of nitrogen adsorption on localized sites of a bundle is carried out to predict adsorption in its accessible internal pore volume and on its external surface as a function of tube diameter. External adsorption is split into the contributions from the clean surface of the outermost nanotubes of the bundle and from the surface of the impurities. The site-specific isotherms are then combined into a global isotherm for a given sample using knowledge of its tube-diameter distribution obtained by Raman spectroscopy. The structural parameters of the sample, such as the fraction of open-ended nanotubes and the contributions from impurities and nanotube bundles to total external surface area, are determined by fitting the experimental nitrogen adsorption data to the simulated isotherm. The degree of closure between experimental and calculated adsorption isotherms for samples manufactured by two different methods, to provide different nanotube morphology and contamination level, further strengthens the validity and resulting interpretations based on the proposed approach. The average number of nanotubes per bundle and average bundle size, within a sample, are also quantified. The proposed method allows for extrapolation of adsorption properties to conditions where the purification process is 100% effective at removing all impurities and opening access to all intrabundle adsorption sites. ?? 2006 Elsevier Ltd. All rights reserved.

Carbon↗

USGS2005

Adsorption equilibrium of organic vapors on single-walled carbon nanotubes

Gravimetric techniques were employed to determine the adsorption capacities of commercially available purified electric arc and HiPco single-walled carbon nanotubes (SWNTs) for organic compounds (toluene, methyl ethyl ketone (MEK), hexane and cyclohexane) at relative pressures, p/p0, ranging from 1 ?? 10-4 to 0.95 and at isothermal conditions of 25, 37 and 50 ??C. The isotherms displayed both type I and type II characteristics. Adsorption isotherm modeling showed that SWNTs are heterogeneous adsorbents, and the Freundlich equation best describes the interaction between organic molecules and SWNTs. The heats of adsorption were 1-4 times the heats of vaporization, which is typical for physical adsorption of organic vapors on porous carbons. ?? 2005 Elsevier Ltd. All rights reserved.

Carbon↗

USGS2005

Adsorption in single-walled carbon nanotubes by experiments and molecular simulation II: Effect of morphology and temperature on organic adsorption

Hexane adsorption on single-walled carbon nanotube (SWNT) bundles was studied. Hexane adsorption capacities of two purified SWNT samples was gravimetrically determined at isothermal conditions of 25??, 37??, and 50??C for 10-4 < p/po < 0.9, where p/po is hexane vapor pressure relative to its saturation pressure. Simulation of hexane adsorption under similar temperature and pressure conditions were performed on the external and internal sites of nanotube bundles of diameters same as those in experimental samples. The simulations could predict isotherms for a hypothetical scenario where all nanotubes in a sample would be open. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).

Conference Paper↗

USGS2004

Generation of ethylene tracer by noncatalytic pyrolysis of natural gas at elevated pressure

There is a critical need within the pipeline gas industry for an inexpensive and reliable technology to generate an identification tag or tracer that can be added to pipeline gas to identify gas that may escape and improve the deliverability and management of gas in underground storage fields. Ethylene is an ideal tracer, because it does not exist naturally in the pipeline gas, and because its physical properties are similar to the pipeline gas components. A pyrolysis process, known as the Tragen process, has been developed to continuously convert the ???2%-4% ethane component present in pipeline gas into ethylene at common pipeline pressures of 800 psi. In our studies of the Tragen process, pyrolysis without steam addition achieved a maximum ethylene yield of 28%-35% at a temperature range of 700-775 ??C, corresponding to an ethylene concentration of 4600-5800 ppm in the product gas. Coke deposition was determined to occur at a significant rate in the pyrolysis reactor without steam addition. The ?? 13C isotopic analysis of gas components showed a ?? 13C value of ethylene similar to ethane in the pipeline gas, indicating that most of the ethylene was generated from decomposition of the ethane in the raw gas. However, ?? 13C isotopic analysis of the deposited coke showed that coke was primarily produced from methane, rather than from ethane or other heavier hydrocarbons. No coke deposition was observed with the addition of steam at concentrations of > 20% by volume. The dilution with steam also improved the ethylene yield. ?? 2005 American Chemical Society.

Energy and Fuels↗

USGS2004

Assessing sorbent injection mercury control effectiveness in flue gas streams

One promising approach for removing mercury from coal-fired, utility flue gas involves the direct injection of mercury sorbents. Although this method has been effective at removing mercury in municipal waste incinerators, tests conducted to date on utility coal-fired boilers show that mercury removal is much more difficult in utility flue gas. EPRI is conducting research to investigate mercury removal using sorbents in this application. Bench-scale, pilot-scale, and field tests have been conducted to determine the ability of different sorbents to remove mercury in simulated and actual flue gas streams. This paper focuses on recent bench-scale and field test results evaluating the adsorption characteristics of activated carbon and fly ash and the use of these results to develop a predictive mercury removal model. Field tests with activated carbon show that adsorption characteristics measured in the lab agree reasonably well with characteristics measured in the field. However, more laboratory and field data will be needed to identify other gas phase components which may impact performance. This will allow laboratory tests to better simulate field conditions and provide improved estimates of sorbent performance for specific sites. In addition to activated carbon results, bench-scale and modeling results using fly ash are presented which suggest that certain fly ashes are capable of adsorbing mercury.

Environmental Progress↗

USGS2004

Temporal changes in nitrogen adsorption properties of single-walled carbon nanotubes

Temporal evolution of N2 adsorption (77 K) properties of as-produced and purified single-walled nanotubes (SWNTs) samples is described here. The N2 adsorption isotherms are used to characterize the samples' surface areas and porosities. The as-produced samples demonstrate a temporal increase in surface area and pore volumes for up to 16 months. The purified samples, however, reached their stable values of surface area and pore volumes within four to seven months. N2 adsorption capacity of the purified SWNTs also increased when the fresh samples were subjected to thermal pre-processing, with diminishing changes in adsorption capacity with increased age. These observations indicate that the freshly prepared SWNTs, both as-produced and purified, were in an unstable state with their porosity changing with increasing sample age and thermal treatments. It is hypothesized that SWNTs undergo slow but progressive changes in their surface chemistry which causes their N2 adsorption properties to change over several months. ?? 2004 Elsevier Ltd. All rights reserved.

Carbon↗

USGS2004

Dynamic modelling of an adsorption storage tank using a hybrid approach combining computational fluid dynamics and process simulation

A computational fluid dynamics (CFD) software package has been coupled with the dynamic process simulator of an adsorption storage tank for methane fuelled vehicles. The two solvers run as independent processes and handle non-overlapping portions of the computational domain. The codes exchange data on the boundary interface of the two domains to ensure continuity of the solution and of its gradient. A software interface was developed to dynamically suspend and activate each process as necessary, and be responsible for data exchange and process synchronization. This hybrid computational tool has been successfully employed to accurately simulate the discharge of a new tank design and evaluate its performance. The case study presented here shows that CFD and process simulation are highly complementary computational tools, and that there are clear benefits to be gained from a close integration of the two. ?? 2004 Elsevier Ltd. All rights reserved.

Computers and Chemical Engineering↗

USGS2004

Characterization of single-walled carbon nanotubes for environmental implications

Adsorption capacities of N2 and various organic vapors (methyl-ethyl ketone (MEK), toluene, and cyclohexane) on select electric-arc and HiPco produced single walled carbon nanotubes (SWNT) were measured at 77 and 298 K, respectively. The amount of N2 adsorbed on a SWNT sample depended on the sample purity, methodology, and on the sample age. Adsorption capacities of organic vapors (100-1000 ppm vol) on SWNT in humid conditions were much higher than those for microporous activated carbons. These results established a foundation for additional studies related to potential environmental applications of SWNT. The MEK adsorption capacities of samples EA95 and CVD80 and mesoporous tire-derived activated carbon in humid conditions were lower than in dry conditions. This is an abstract of a paper presented at the AIChE Annual Meeting (Austin, TX 11/7-12/2004).

Conference Paper↗

USGS2002

A new mathematical solution for predicting char activation reactions

The differential conservation equations that describe typical gas-solid reactions, such as activation of coal chars, yield a set of coupled second-order partial differential equations. The solution of these coupled equations by exact analytical methods is impossible. In addition, an approximate or exact solution only provides predictions for either reaction- or diffusion-controlling cases. A new mathematical solution, the quantize method (QM), was applied to predict the gasification rates of coal char when both chemical reaction and diffusion through the porous char are present. Carbon conversion rates predicted by the QM were in closer agreement with the experimental data than those predicted by the random pore model and the simple particle model. ?? 2002 Elsevier Science Ltd. All rights reserved.

Carbon↗

USGS2002

Mercury adsorption properties of sulfur-impregnated adsorbents

Carbonaceous and noncarbonaceous adsorbents were impregnated with elemental sulfur to evaluate the chemical and physical properties of the adsorbents and their equilibrium mercury adsorption capacities. Simulated coal combustion flue gas conditions were used to determine the equilibrium adsorption capacities for Hg0 and HgCl2 gases to better understand how to remove mercury from gas streams generated by coal-fired utility power plants. Sulfur was deposited onto the adsorbents by monolayer surface deposition or volume pore filling. Sulfur impregnation increased the total sulfur content and decreased the total and micropore surface areas and pore volumes for all of the adsorbents tested. Adsorbents with sufficient amounts of active adsorption sites and sufficient microporous structure had mercury adsorption capacities up to 4,509 ??g Hg/g adsorbent. Elemental sulfur, organic sulfur, and sulfate were formed on the adsorbents during sulfur impregnation. Correlations were established with R2>0.92 between the equilibrium Hg0/HgCl2 adsorption capacities and the mass concentrations of elemental and organic sulfur. This result indicates that elemental and organic sulfur are important active adsorption sites for Hg0 and HgCl2.

Journal of Environmental Engineering↗

USGS2001

Effects of sulfur impregnation temperature on the properties and mercury adsorption capacities of activated carbon fibers (ACFs)

Laboratory studies were conducted to determine the role of sulfur functional groups and micropore surface area of carbon-based adsorbents on the adsorption of Hg0 from simulated coal combustion flue gases. In this study, raw activated carbon fibers that are microporous (ACF-20) were impregnated with elemental sulfur between 250 and 650 ??C. The resulting samples were saturated with respect to sulfur content. Total sulfur content of the sulfur impregnated ACF samples decreased with increasing impregnation temperatures from 250 and 500 ??C and then remained constant to 650 ??C. Results from sulfur K-edge X-ray absorption near-edge structure (S-XANES) spectroscopy showed that sulfur impregnated on the ACF samples was in both elemental and organic forms. As sulfur impregnation temperature increased, however, the relative amounts of elemental sulfur decreased with a concomitant increase in the amount of organic sulfur. Thermal analyses and mass spectrometry revealed that sulfur functional groups formed at higher impregnation temperatures were more thermally stable. In general, sulfur impregnation decreased surface area and increased equilibrium Hg0 adsorption capacity when compared to the raw ACF sample. The ACF sample treated with sulfur at 400 ??C had a surface area of only 94 m2/g compared to the raw ACF sample's surface area of 1971 m2/g, but at least 86% of this sample's surface area existed as micropores and it had the largest equilibrium Hg0adsorption capacities (2211-11343 ??g/g). Such a result indicates that 400 ??C is potentially an optimal sulfur impregnation temperature for this ACF. Sulfur impregnated on the ACF that was treated at 400 ??C was in both elemental and organic forms. Thermal analyses and CS2extraction tests suggested that elemental sulfur was the main form of sulfur affecting the Hg0 adsorption capacity. These findings indicate that both the presence of elemental sulfur on the adsorbent and a microporous structure are important properties for improving the performance of carbon-based adsorbents for the removal of Hg0 from coal combustion flue gases.

Environmental Science & Technology↗

USGS2001

New general pore size distribution model by classical thermodynamics application: Activated carbon

A model is developed using classical thermodynamics to characterize pore size distributions (PSDs) of materials containing micropores and mesopores. The thermal equation of equilibrium adsorption (TEEA) is used to provide thermodynamic properties and relate the relative pore filling pressure of vapors to the characteristic pore energies of the adsorbent/adsorbate system for micropore sizes. Pore characteristic energies are calculated by averaging of interaction energies between adsorbate molecules and adsorbent pore walls as well as considering adsorbate-adsorbate interactions. A modified Kelvin equation is used to characterize mesopore sizes by considering variation of the adsorbate surface tension and by excluding the adsorbed film layer for the pore size. The modified-Kelvin equation provides similar pore filling pressures as predicted by density functional theory. Combination of these models provides a complete PSD of the adsorbent for the micropores and mesopores. The resulting PSD is compared with the PSDs from Jaroniec and Choma and Horvath and Kawazoe models as well as a first-order approximation model using Polanyi theory. The major importance of this model is its basis on classical thermodynamic properties, less simplifying assumptions in its derivation compared to other methods, and ease of use.

Journal of Environmental Engineering↗

USGS2000

Properties and potential environmental applications of carbon adsorbents from waste tire rubber

The properties of tire-derived carbon adsorbents (TDCA) produced from select tire chars were compared with those derived from an Illinois coal and pistachio nut shells. Chemical analyses of the TDCA indicated that these materials contain metallic elements not present in coal-and nut shell-derived carbons. These metals, introduced during the production of tire rubber, potentially catalyze steam gasification reactions of tire char. TDCA carbons contained larger meso-and macopore volumes than their counterparts derived from coal and nut shell (on the moisture-and ash-free-basis). Adsorptive properties of the tire-derived adsorbent carbons for air separation, gas storage, and gas clean up were also evaluated and compared with those of the coal-and nut shell derived carbons as well as a commercial activated carbon. The results revealed that TDCA carbons are suitable adsorbents for removing vapor-phase mercury from combustion flue gases and hazardous organic compounds from industrial gas streams.

ACS Division of Fuel Chemistry, Preprints↗

USGS1998

Sorption and modeling of mass transfer of toxic chemical vapors in activated-carbon fiber-cloth adsorbers

A new activated-carbon fiber-cloth (ACFC) adsorber coupled with an electrothermal regenerator and a cryogenic condenser was designed and developed to efficiently capture and recover toxic chemical vapors (TCVs) from simulated industrial gas streams. The system was characterized for adsorption by ACFC, electrothermal desorption, and cryogenic condensation to separate acetone and methyl ethyl ketone from gas streams. Adsorption dynamics are numerically modeled to predict system characteristics during scale-up and optimization of the process in the future. The model requires diffusivities of TCVs into an activated-carbon fiber (ACF) as an input. Effective diffusivities of TCVs into ACFs were modeled as a function of temperature, concentration, and pore size distribution. Effective diffusivities for acetone at 65 °C and 30−60 ppmv were measured using a chromatography method. The energy factor for surface diffusion was determined from comparison between the experimental and modeled effective diffusivities. The modeled effective diffusivities were used in a dispersive computational model to predict mass transfer zones of TCVs in fixed beds of ACFC under realistic conditions for industrial applications.

Energy and Fuels↗

USGS1998

Preparation and evaluation of coal-derived activated carbons for removal of mercury vapor from simulated coal combustion flue fases

Coal-derived activated carbons (CDACs) were tested for their suitability in removing trace amounts of vapor-phase mercury from simulated flue gases generated by coal combustion. CDACs were prepared in bench-scale and pilot-scale fluidized-bed reactors with a three-step process, including coal preoxidation, carbonization, and then steam activation. CDACs from high-organicsulfur Illinois coals had a greater equilibrium Hg0 adsorption capacity than activated carbons prepared from a low-organic-sulfur Illinois coal. When a low-organic-sulfur CDAC was impregnated with elemental sulfur at 600 ??C, its equilibrium Hg0 adsorption capacity was comparable to the adsorption capacity of the activated carbon prepared from the high-organicsulfur coal. X-ray diffraction and sulfur K-edge X-ray absorption near-edge structure examinations showed that the sulfur in the CDACs was mainly in organic forms. These results suggested that a portion of the inherent organic sulfur in the starting coal, which remained in the CDACs, played an important role in adsorption of Hg0. Besides organic sulfur, the BET surface area and micropore area of the CDACs also influenced Hg0 adsorption capacity. The HgCl2 adsorption capacity was not as dependent on the surface area and concentration of sulfur in the CDACs as was adsorption of Hg0. The properties and mercury adsorption capacities of the CDACs were compared with those obtained for commercial Darco FGD carbon.

Energy and Fuels↗